#! /bin/bash

hostname=$(hostname)
if [[ "$hostname" == *"epyc"* ]]; then
    source /nfs/home/zdingman/environments/SWAG/bin/activate
else
    echo "Not on epyc hardware. Please run this script on the appropriate machine."
    exit 1
fi

# directory containing the CSV files
target_dir=$1
html_dir=${2:-$(pwd)}

if [ -z "$target_dir" ]; then
    echo "Usage: $0 <target_dir>"
    exit 1
fi

cd $target_dir

if [ ! -d "$html_dir" ]; then
    echo "Error: Directory $html_dir does not exist."
fi

mkdir -p "$html_dir/html"
mkdir -p "$html_dir/html/.staging"



# get the list of smiles 
if [ ! -f "$html_dir/html/.staging/all.smi" ]; then
    cat "$target_dir"/*/*.smi >> "$html_dir/html/.staging/all.smi"
else
    echo "SMILES file already exists at $html_dir/html/.staging/all.smi. Skipping concatenation."
fi

# generate JSON
python ~khtang/work/Projects/ZINC26_codes/generate_json3.py $target_dir "$html_dir/html"
python ~khtang/work/Projects/ZINC26_codes/jsons_to_html3.py $target_dir
python ~khtang/work/Projects/ZINC26_codes/target_html.py $target_dir